[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone

C18H26N2O — CID 104967543

IUPAC[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone
SMILESCC1CC(C(=O)N2[C@H](C)CCC[C@@H]2C)c2ccccc2N1
InChIInChI=1S/C18H26N2O/c1-12-11-16(15-9-4-5-10-17(15)19-12)18(21)20-13(2)7-6-8-14(20)3/h4-5,9-10,12-14,16,19H,6-8,11H2,1-3H3/t12?,13-,14+,16?
InChIKeyZEGKZKBCWYWSLX-MHXRYWECSA-N
MW286.42 g/mol
LogP3.76
Rot. Bonds1

About [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone

[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone (PubChem CID 104967543) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone.

Molecular Properties

Compound Name[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone
PubChem CID104967543
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone
SMILESCC1CC(C(=O)N2[C@H](C)CCC[C@@H]2C)c2ccccc2N1
InChIInChI=1S/C18H26N2O/c1-12-11-16(15-9-4-5-10-17(15)19-12)18(21)20-13(2)7-6-8-14(20)3/h4-5,9-10,12-14,16,19H,6-8,11H2,1-3H3/t12?,13-,14+,16?
InChIKeyZEGKZKBCWYWSLX-MHXRYWECSA-N
XLogP3.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone with MolForge

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Related Compounds

(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
CID 95566944
(3,4-dimethylpiperazin-1-yl)-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 63620366
(2,6-dimethylmorpholin-4-yl)-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 24707939
(3-ethylpiperidin-1-yl)-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 43584722
1-methyl-4-(2-methyl-1,2,3,4-tetrahydroquinoline-4-carbonyl)piperazin-2-one
CID 64695499
N-cyclooctyl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 43823060
N,2-dimethyl-N-propyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 43271515
2-methyl-N-pentan-3-yl-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 24691290
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone
CID 107356403
2-methyl-N-(1-methylpiperidin-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 61222722
2-methyl-N-(4-methylcyclohexyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 24698002
(2S,4S)-2-methyl-N-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 93290068

Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone?
The IUPAC name of [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone (CID 104967543) is [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone.
What is the SMILES notation for [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone?
The canonical SMILES for [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone is CC1CC(C(=O)N2[C@H](C)CCC[C@@H]2C)c2ccccc2N1.
What is the InChIKey of [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone?
The InChIKey is ZEGKZKBCWYWSLX-MHXRYWECSA-N. The full InChI is InChI=1S/C18H26N2O/c1-12-11-16(15-9-4-5-10-17(15)19-12)18(21)20-13(2)7-6-8-14(20)3/h4-5,9-10,12-14,16,19H,6-8,11H2,1-3H3/t12?,13-,14+,16?.
What are the key properties of [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone?
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone has a molecular weight of 286.42 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone is sourced from PubChem (CID 104967543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).